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COMGENEX-ZINC06773438

 MMsINC code: MMs01205351
Type: Neutral
Formula: C19H21FN2O4S
SMILES:   S(Oc1ccc(cc1)CN(C(=O)NCC)C1CC1)(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C19H21FN2O4S/c1-2-21-19(23)22(16-7-8-16)13-14-3-9-17(10-4-14)26-27(24,25)18-11-5-15(20)6-12-18/h3-6,9-12,16H,2,7-8,13H2,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=76.4311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.451 g/mol  logS: -4.53814  SlogP: 3.5537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0957138  Sterimol/B1: 2.53279  Sterimol/B2: 2.92235  Sterimol/B3: 5.26009
  Sterimol/B4: 7.84182  Sterimol/L: 16.0892 
 
 Surface and Volume Properties
  Accessible surface: 617.908  Positive charged surface: 350.823  Negative charged surface: 267.085  Volume: 349.625
  Hydrophobic surface: 447.642  Hydrophilic surface: 170.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.